N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide

C21H20N2O4 — CID 1026582

IUPACN-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
SMILESCCOc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccco2)c1
InChIInChI=1S/C21H20N2O4/c1-3-26-16-7-4-6-15(13-16)20(24)23-18-12-14(2)9-10-17(18)22-21(25)19-8-5-11-27-19/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOTRWOUSZLIHJCQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.49
Rot. Bonds6

About N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide

N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide (PubChem CID 1026582) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
PubChem CID1026582
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
SMILESCCOc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccco2)c1
InChIInChI=1S/C21H20N2O4/c1-3-26-16-7-4-6-15(13-16)20(24)23-18-12-14(2)9-10-17(18)22-21(25)19-8-5-11-27-19/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOTRWOUSZLIHJCQ-UHFFFAOYSA-N
XLogP4.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide (CID 1026582) is N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide is CCOc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide?
The InChIKey is OTRWOUSZLIHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-26-16-7-4-6-15(13-16)20(24)23-18-12-14(2)9-10-17(18)22-21(25)19-8-5-11-27-19/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide?
N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 1026582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).